6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

C12H17F3N4O3S — CID 133490993

IUPAC6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C12H17F3N4O3S/c1-2-22-11-7-10(16-8-17-11)18-9-3-5-19(6-4-9)23(20,21)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,17,18)
InChIKeyTVYIKYMLRRKTDD-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.60
Rot. Bonds5

About 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine

6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 133490993) has the molecular formula C12H17F3N4O3S and a molecular weight of 354.35 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID133490993
Molecular FormulaC12H17F3N4O3S
Molecular Weight354.35 g/mol
Exact Mass354.10
IUPAC Name6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C12H17F3N4O3S/c1-2-22-11-7-10(16-8-17-11)18-9-3-5-19(6-4-9)23(20,21)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,17,18)
InChIKeyTVYIKYMLRRKTDD-UHFFFAOYSA-N
XLogP1.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 75509073
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
1-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-methyl-2-pyridin-3-ylpropan-1-one
CID 136531960
6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine
CID 133490995
N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
CID 66327551
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171336312

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine (CID 133490993) is 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine is CCOc1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ncn1.
What is the InChIKey of 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is TVYIKYMLRRKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O3S/c1-2-22-11-7-10(16-8-17-11)18-9-3-5-19(6-4-9)23(20,21)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine?
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 354.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133490993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).